N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H12ClF3N6O2 — CID 167113839

IUPACN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)C1=C2N=CC(F)=CN2NC1
InChIInChI=1S/C17H12ClF3N6O2/c18-8-1-2-13(29-17(20)21)10(3-8)14-12(6-23-26-14)25-16(28)11-5-24-27-7-9(19)4-22-15(11)27/h1-4,6-7,17,24H,5H2,(H,23,26)(H,25,28)
InChIKeyPRPBXVCNFPFNAH-UHFFFAOYSA-N
MW424.77 g/mol
LogP3.20
Rot. Bonds5

About N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167113839) has the molecular formula C17H12ClF3N6O2 and a molecular weight of 424.77 g/mol. Its IUPAC name is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167113839
Molecular FormulaC17H12ClF3N6O2
Molecular Weight424.77 g/mol
Exact Mass424.07
IUPAC NameN-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)C1=C2N=CC(F)=CN2NC1
InChIInChI=1S/C17H12ClF3N6O2/c18-8-1-2-13(29-17(20)21)10(3-8)14-12(6-23-26-14)25-16(28)11-5-24-27-7-9(19)4-22-15(11)27/h1-4,6-7,17,24H,5H2,(H,23,26)(H,25,28)
InChIKeyPRPBXVCNFPFNAH-UHFFFAOYSA-N
XLogP3.20
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.77
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-N-[1-[1-(3-acetamidopropyl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-3-amino-3-imino-2-(1H-pyrimidin-2-ylidene)propanamide
CID 137158490
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
1-(3-Aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
CID 118522326
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 118522498
3-[5-Chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
CID 118522788
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 118522791
1-[2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]acetyl]piperidin-4-one
CID 118523019
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 118523132
3-[[1-[2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]acetyl]piperidin-4-yl]amino]propanenitrile
CID 118523189
(2Z)-3-amino-2-[amino(methylamino)methylidene]-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(2-phenylmethoxyethyl)piperidin-4-yl]pyrazol-4-yl]but-3-enamide
CID 118533462

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167113839) is N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn[nH]c1-c1cc(Cl)ccc1OC(F)F)C1=C2N=CC(F)=CN2NC1.
What is the InChIKey of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PRPBXVCNFPFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2/c18-8-1-2-13(29-17(20)21)10(3-8)14-12(6-23-26-14)25-16(28)11-5-24-27-7-9(19)4-22-15(11)27/h1-4,6-7,17,24H,5H2,(H,23,26)(H,25,28).
What are the key properties of N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.77 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-6-fluoro-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167113839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).